SCHEMBL4412002

SCHEMBL4412002

O=c1c(-c2ccc(O)cc2)c(/C=C/c2cccc(O)c2OCC2CC2)nc2sccn12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 2/20 0.33
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13667052 0.90 ACMSD (0.36) GAAMAPTNPC1KDM4EALDH1A1
SCHEMBL637142 0.90 ACMSD (0.36) GAAMAPTNPC1KDM4EALDH1A1
SCHEMBL16966536 0.90 KCNQ3 (0.34)
SCHEMBL13667492 0.87 CNR2 (0.34) MAPTKDM4EALDH1A1POLB
SCHEMBL4401367 0.85 CTSA (0.34) MAPTNPC1POLBHPGD
SCHEMBL637328 0.83 HCRTR1 (0.37) MAPTNPC1KDM4EPOLBHPGD
SCHEMBL4399942 0.83 PDE10A (0.35) MAPTNPC1
SCHEMBL6032767 0.83 HCRTR1 (0.37) MAPTNPC1KDM4EPOLBHPGD
SCHEMBL636539 0.83 PDE10A (0.35) MAPTNPC1
SCHEMBL636242 0.83 ACMSD (0.37) MAPTNPC1KDM4EALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NFKB1 2232/4885NFKB2 1832/4885RELA 1454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.